A1896/0079587
TL;DR: A1896/0079587 (CAS 330674-96-9) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A1896/0079587, 2-(propan-2-yloxy)ethyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-isopropoxyethyl 4-(4-(diethylamino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-isopropoxyethyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-propan-2-yloxyethyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H31N3O4 |
|---|---|
| Molecular Weight | 389.23 g/mol |
| LogP | 3.1289 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.23145 |
| Heavy Atoms | 28 |
| Complexity | 708.8658 |
Chemical Identifiers
| CAS Number | 330674-96-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCOC(C)C |
Product Overview
A1896/0079587 (CAS 330674-96-9), with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol. IUPAC: 2-propan-2-yloxyethyl 4-[4-(diethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A1896/0079587
Property Insights of A1896/0079587
The XLogP value of 3.1289 indicates that A1896/0079587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A1896/0079587. Following Lipinski's Rule of Five, A1896/0079587 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1896/0079587?
The CAS number of A1896/0079587 is 330674-96-9.
What is the molecular formula of A1896/0079587?
The molecular formula of A1896/0079587 is C21H31N3O4.
What is the molecular weight of A1896/0079587?
The molecular weight of A1896/0079587 is 389.23 g/mol.
Where can I buy A1896/0079587?
You can request a quote for A1896/0079587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1896/0079587?
Yes, KEHONG BIO provides custom synthesis services for A1896/0079587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.